Project name: 316343988506b6e

Status: done

Started: 2025-12-23 04:00:46
Settings
Chain sequence(s) A: MAEVQLQASGGGFVQPGGSLRLSCAASGTTSFGDTMGWYRNAPGKKREDVSAISRQGDDSHHYADSVKGRFTISRDNSKNTVYLQMNSLRAEDTAPYYCSEWMFTRREFITLYGGQGTHVTVSS
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:24)
Show buried residues

Minimal score value
-4.0311
Maximal score value
1.6291
Average score
-0.9961
Total score value
-123.5188

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
1 M A 0.5113
2 A A -0.6300
3 E A -1.8964
4 V A -1.3727
5 Q A -2.1583
6 L A 0.0000
7 Q A -1.9283
8 A A -1.3114
9 S A -1.1867
10 G A -1.1391
11 G A -0.7561
12 G A 0.1828
13 F A 1.3558
14 V A 0.0000
15 Q A -1.3287
16 P A -1.6431
17 G A -1.4341
18 G A -0.9354
19 S A -1.0639
20 L A -0.9854
21 R A -2.1115
22 L A 0.0000
23 S A -0.7981
24 C A 0.0000
25 A A -1.1026
26 A A -1.1643
27 S A -1.5114
28 G A -1.1858
29 T A -0.6008
30 T A -0.3005
31 S A -0.2011
32 F A -0.4733
33 G A 0.0000
34 D A -0.3956
35 T A -0.2917
36 M A 0.0000
37 G A 0.0000
38 W A 0.0000
39 Y A 0.0000
40 R A 0.0000
41 N A -2.6890
42 A A -2.2625
43 P A -1.7259
44 G A -2.1219
45 K A -3.5450
46 K A -4.0311
47 R A -3.9419
48 E A -3.0452
49 D A -2.9018
50 V A 0.0000
51 S A 0.0000
52 A A -0.6890
53 I A 0.0000
54 S A -1.9082
55 R A -2.4289
56 Q A -2.5132
57 G A -2.6698
58 D A -3.3828
59 D A -3.3164
60 S A -2.2701
61 H A -1.7126
62 H A -1.9050
63 Y A -1.6937
64 A A -2.0437
65 D A -2.7563
66 S A -1.9615
67 V A 0.0000
68 K A -2.7085
69 G A -1.7072
70 R A -1.4012
71 F A 0.0000
72 T A -0.9428
73 I A 0.0000
74 S A -0.7871
75 R A -1.5420
76 D A -1.8681
77 N A -2.0113
78 S A -1.7153
79 K A -2.4486
80 N A -1.8003
81 T A 0.0000
82 V A 0.0000
83 Y A -0.6280
84 L A 0.0000
85 Q A -1.2238
86 M A 0.0000
87 N A -1.3753
88 S A -1.2475
89 L A 0.0000
90 R A -2.4372
91 A A -1.8062
92 E A -2.2840
93 D A 0.0000
94 T A -0.9577
95 A A 0.0000
96 P A -0.9055
97 Y A 0.0000
98 Y A -0.5609
99 C A 0.0000
100 S A 0.0000
101 E A 0.0000
102 W A 1.4320
103 M A 0.0000
104 F A 1.5734
105 T A -0.3507
106 R A -2.3991
107 R A -2.7166
108 E A -1.3633
109 F A 1.5792
110 I A 1.6291
111 T A 1.3970
112 L A 0.8576
113 Y A 0.9556
114 G A -0.4484
115 G A -1.2882
116 Q A -1.8480
117 G A -1.2614
118 T A -1.2023
119 H A -1.0337
120 V A 0.0000
121 T A -0.2270
122 V A 0.0000
123 S A -0.6254
124 S A -0.4482
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018